BALL  1.4.2
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rrModel.h
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1 /* rrModel.h
2  *
3  * Copyright (C) 2009 Marcel Schumann
4  *
5  * This file is part of QuEasy -- A Toolbox for Automated QSAR Model
6  * Construction and Validation.
7  * QuEasy is free software; you can redistribute it and/or modify
8  * it under the terms of the GNU General Public License as published by
9  * the Free Software Foundation; either version 3 of the License, or (at
10  * your option) any later version.
11  *
12  * QuEasy is distributed in the hope that it will be useful, but
13  * WITHOUT ANY WARRANTY; without even the implied warranty of
14  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
15  * General Public License for more details.
16  *
17  * You should have received a copy of the GNU General Public License
18  * along with this program; if not, see <http://www.gnu.org/licenses/>.
19  */
20 
21  // -*- Mode: C++; tab-width: 2; -*-
22 // vi: set ts=2:
23 //
24 //
25 
26 #ifndef RIDGEMODEL
27 #define RIDGEMODEL
28 
29 #ifndef MLRMODEL
30 #include <BALL/QSAR/mlrModel.h>
31 #endif
32 
33 #ifndef QSAR_EXCEPTION
34 #include <BALL/QSAR/exception.h>
35 #endif
36 
37 
38 
39 namespace BALL
40 {
41  namespace QSAR
42  {
43  class BALL_EXPORT RRModel : public MLRModel
44  {
45  public:
51  RRModel(const QSARData& q, double lambda=0.003);
52 
53  ~RRModel();
55 
60  void train();
61 
62  void setParameters(vector<double>& v);
63 
64  vector<double> getParameters() const;
66 
67  private:
71  double lambda_;
72 
74  };
75  }
76 }
77 
78 #endif // RIDGEMODEL
79